[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate

C34H36O6 — CID 177394840

IUPAC[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
SMILESO=CO[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-27-40-33(26-37-22-29-15-7-2-8-16-29)34(39-24-31-19-11-4-12-20-31)32(38-23-30-17-9-3-10-18-30)25-36-21-28-13-5-1-6-14-28/h1-20,27,32-34H,21-26H2/t32-,33-,34+/m0/s1
InChIKeyRNJLLSWHMAZBFN-DHWXLLNHSA-N
MW540.66 g/mol
LogP6.13
Rot. Bonds18

About [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate

[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate (PubChem CID 177394840) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate.

Molecular Properties

Compound Name[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
PubChem CID177394840
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
SMILESO=CO[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-27-40-33(26-37-22-29-15-7-2-8-16-29)34(39-24-31-19-11-4-12-20-31)32(38-23-30-17-9-3-10-18-30)25-36-21-28-13-5-1-6-14-28/h1-20,27,32-34H,21-26H2/t32-,33-,34+/m0/s1
InChIKeyRNJLLSWHMAZBFN-DHWXLLNHSA-N
XLogP6.13
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate
CID 11071783
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate
CID 102448049
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903
(2S,3R,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 12995469
(2S,3R,4R,5S,6S,7S,8R,9S,10R,11R)-2,3,4,6,7,8,9,10,11,12-decakis(phenylmethoxy)dodecane-1,5-diol
CID 10653976

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate?
The IUPAC name of [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate (CID 177394840) is [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate.
What is the SMILES notation for [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate?
The canonical SMILES for [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate is O=CO[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate?
The InChIKey is RNJLLSWHMAZBFN-DHWXLLNHSA-N. The full InChI is InChI=1S/C34H36O6/c35-27-40-33(26-37-22-29-15-7-2-8-16-29)34(39-24-31-19-11-4-12-20-31)32(38-23-30-17-9-3-10-18-30)25-36-21-28-13-5-1-6-14-28/h1-20,27,32-34H,21-26H2/t32-,33-,34+/m0/s1.
What are the key properties of [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate?
[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate has a molecular weight of 540.66 g/mol, XLogP of 6.13, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate is sourced from PubChem (CID 177394840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).